17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

C396H246N18O8 — CID 164995078

IUPAC17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
SMILESc1cc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)O3)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)c2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)c3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc1
InChIInChI=1S/2C54H33N3O.3C54H34N2O.3C42H26N2O/c1-5-18-46-40(13-1)41-14-2-6-19-47(41)56(46)39-28-29-50-45(33-39)43-16-4-7-20-48(43)55(50)38-12-9-11-36(31-38)34-23-25-35(26-24-34)37-27-30-52-51(32-37)57-49-21-8-3-15-42(49)44-17-10-22-53(58-52)54(44)57;1-5-15-46-40(10-1)41-11-2-6-16-47(41)56(46)39-29-30-50-45(33-39)43-13-4-7-17-48(43)55(50)38-27-24-35(25-28-38)34-20-22-36(23-21-34)37-26-31-52-51(32-37)57-49-18-8-3-12-42(49)44-14-9-19-53(58-52)54(44)57;1-3-12-35(13-4-1)40-24-27-49-46(32-40)47-33-41(36-14-5-2-6-15-36)25-28-50(47)55(49)43-19-10-18-39(31-43)37-16-9-17-38(30-37)42-26-29-52-51(34-42)56-48-22-8-7-20-44(48)45-21-11-23-53(57-52)54(45)56;1-3-11-35(12-4-1)40-25-28-49-46(32-40)47-33-41(36-13-5-2-6-14-36)26-29-50(47)55(49)43-16-9-15-39(31-43)37-21-23-38(24-22-37)42-27-30-52-51(34-42)56-48-19-8-7-17-44(48)45-18-10-20-53(57-52)54(45)56;1-3-10-35(11-4-1)40-24-29-49-46(32-40)47-33-41(36-12-5-2-6-13-36)25-30-50(47)55(49)43-27-22-38(23-28-43)37-18-20-39(21-19-37)42-26-31-52-51(34-42)56-48-16-8-7-14-44(48)45-15-9-17-53(57-52)54(45)56;1-4-18-36-32(14-1)33-15-2-5-19-37(33)43(36)31-13-8-12-29(25-31)27-10-7-11-28(24-27)30-22-23-40-39(26-30)44-38-20-6-3-16-34(38)35-17-9-21-41(45-40)42(35)44;1-4-15-36-32(11-1)33-12-2-5-16-37(33)43(36)31-10-7-9-29(25-31)27-19-21-28(22-20-27)30-23-24-40-39(26-30)44-38-17-6-3-13-34(38)35-14-8-18-41(45-40)42(35)44;1-4-12-36-32(8-1)33-9-2-5-13-37(33)43(36)31-23-20-28(21-24-31)27-16-18-29(19-17-27)30-22-25-40-39(26-30)44-38-14-6-3-10-34(38)35-11-7-15-41(45-40)42(35)44/h2*1-33H;3*1-34H;3*1-26H
InChIKeyHLANAFRUCSFXPA-UHFFFAOYSA-N
MW5384.44 g/mol
LogP106.76
Rot. Bonds32

About 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene (PubChem CID 164995078) has the molecular formula C396H246N18O8 and a molecular weight of 5384.44 g/mol. Its IUPAC name is 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
PubChem CID164995078
Molecular FormulaC396H246N18O8
Molecular Weight5384.44 g/mol
Exact Mass5379.94
IUPAC Name17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
SMILESc1cc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)O3)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)c2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)c3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc1
InChIInChI=1S/2C54H33N3O.3C54H34N2O.3C42H26N2O/c1-5-18-46-40(13-1)41-14-2-6-19-47(41)56(46)39-28-29-50-45(33-39)43-16-4-7-20-48(43)55(50)38-12-9-11-36(31-38)34-23-25-35(26-24-34)37-27-30-52-51(32-37)57-49-21-8-3-15-42(49)44-17-10-22-53(58-52)54(44)57;1-5-15-46-40(10-1)41-11-2-6-16-47(41)56(46)39-29-30-50-45(33-39)43-13-4-7-17-48(43)55(50)38-27-24-35(25-28-38)34-20-22-36(23-21-34)37-26-31-52-51(32-37)57-49-18-8-3-12-42(49)44-14-9-19-53(58-52)54(44)57;1-3-12-35(13-4-1)40-24-27-49-46(32-40)47-33-41(36-14-5-2-6-15-36)25-28-50(47)55(49)43-19-10-18-39(31-43)37-16-9-17-38(30-37)42-26-29-52-51(34-42)56-48-22-8-7-20-44(48)45-21-11-23-53(57-52)54(45)56;1-3-11-35(12-4-1)40-25-28-49-46(32-40)47-33-41(36-13-5-2-6-14-36)26-29-50(47)55(49)43-16-9-15-39(31-43)37-21-23-38(24-22-37)42-27-30-52-51(34-42)56-48-19-8-7-17-44(48)45-18-10-20-53(57-52)54(45)56;1-3-10-35(11-4-1)40-24-29-49-46(32-40)47-33-41(36-12-5-2-6-13-36)25-30-50(47)55(49)43-27-22-38(23-28-43)37-18-20-39(21-19-37)42-26-31-52-51(34-42)56-48-16-8-7-14-44(48)45-15-9-17-53(57-52)54(45)56;1-4-18-36-32(14-1)33-15-2-5-19-37(33)43(36)31-13-8-12-29(25-31)27-10-7-11-28(24-27)30-22-23-40-39(26-30)44-38-20-6-3-16-34(38)35-17-9-21-41(45-40)42(35)44;1-4-15-36-32(11-1)33-12-2-5-16-37(33)43(36)31-10-7-9-29(25-31)27-19-21-28(22-20-27)30-23-24-40-39(26-30)44-38-17-6-3-13-34(38)35-14-8-18-41(45-40)42(35)44;1-4-12-36-32(8-1)33-9-2-5-13-37(33)43(36)31-23-20-28(21-24-31)27-16-18-29(19-17-27)30-22-25-40-39(26-30)44-38-14-6-3-10-34(38)35-11-7-15-41(45-40)42(35)44/h2*1-33H;3*1-34H;3*1-26H
InChIKeyHLANAFRUCSFXPA-UHFFFAOYSA-N
XLogP106.76
TPSA162.58 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms422
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005384.44
LogP ≤ 5106.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?
The IUPAC name of 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene (CID 164995078) is 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene.
What is the SMILES notation for 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?
The canonical SMILES for 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene is c1cc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.c1cc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)O3)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)cc3)c2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)O5)c3)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)O4)cc2)cc1.
What is the InChIKey of 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?
The InChIKey is HLANAFRUCSFXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H33N3O.3C54H34N2O.3C42H26N2O/c1-5-18-46-40(13-1)41-14-2-6-19-47(41)56(46)39-28-29-50-45(33-39)43-16-4-7-20-48(43)55(50)38-12-9-11-36(31-38)34-23-25-35(26-24-34)37-27-30-52-51(32-37)57-49-21-8-3-15-42(49)44-17-10-22-53(58-52)54(44)57;1-5-15-46-40(10-1)41-11-2-6-16-47(41)56(46)39-29-30-50-45(33-39)43-13-4-7-17-48(43)55(50)38-27-24-35(25-28-38)34-20-22-36(23-21-34)37-26-31-52-51(32-37)57-49-18-8-3-12-42(49)44-14-9-19-53(58-52)54(44)57;1-3-12-35(13-4-1)40-24-27-49-46(32-40)47-33-41(36-14-5-2-6-15-36)25-28-50(47)55(49)43-19-10-18-39(31-43)37-16-9-17-38(30-37)42-26-29-52-51(34-42)56-48-22-8-7-20-44(48)45-21-11-23-53(57-52)54(45)56;1-3-11-35(12-4-1)40-25-28-49-46(32-40)47-33-41(36-13-5-2-6-14-36)26-29-50(47)55(49)43-16-9-15-39(31-43)37-21-23-38(24-22-37)42-27-30-52-51(34-42)56-48-19-8-7-17-44(48)45-18-10-20-53(57-52)54(45)56;1-3-10-35(11-4-1)40-24-29-49-46(32-40)47-33-41(36-12-5-2-6-13-36)25-30-50(47)55(49)43-27-22-38(23-28-43)37-18-20-39(21-19-37)42-26-31-52-51(34-42)56-48-16-8-7-14-44(48)45-15-9-17-53(57-52)54(45)56;1-4-18-36-32(14-1)33-15-2-5-19-37(33)43(36)31-13-8-12-29(25-31)27-10-7-11-28(24-27)30-22-23-40-39(26-30)44-38-20-6-3-16-34(38)35-17-9-21-41(45-40)42(35)44;1-4-15-36-32(11-1)33-12-2-5-16-37(33)43(36)31-10-7-9-29(25-31)27-19-21-28(22-20-27)30-23-24-40-39(26-30)44-38-17-6-3-13-34(38)35-14-8-18-41(45-40)42(35)44;1-4-12-36-32(8-1)33-9-2-5-13-37(33)43(36)31-23-20-28(21-24-31)27-16-18-29(19-17-27)30-22-25-40-39(26-30)44-38-14-6-3-10-34(38)35-11-7-15-41(45-40)42(35)44/h2*1-33H;3*1-34H;3*1-26H.
What are the key properties of 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?
17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene has a molecular weight of 5384.44 g/mol, XLogP of 106.76, 32 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-(4-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene is sourced from PubChem (CID 164995078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).